N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Openeye Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide CAS Name: N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]adamantane-1-carboxamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N5O3S/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-9-30(28,29)26-7-5-25(6-8-26)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)